Compound Information | SONAR Target prediction | Name: | ALLOPREGNANOLONE | Unique Identifier: | SPE00100303 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 286.239 g/mol | X log p: | 0.39 (online calculus) | Lipinksi Failures | 0 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 1 | Canonical Smiles: | CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC21C | Class: | sterol | Source: | semisynthetic | Reference: | J Am Chem Soc 59: 616 (1937) | Generic_name: | AETIOCHOLANOLONE | Chemical_iupac_name: | AETIOCHOLANOLONE | Drug_type: | Experimental | Drugbank_id: | EXPT00443 | Drug_category: | Alcohol Sulfotransferase inhibitor | Organisms_affected: | -1 |
Species: |
4932 |
Condition: |
pdr_yCG196 |
Replicates: |
2 |
Raw OD Value: r im |
0.7425±0.0190919 |
Normalized OD Score: sc h |
0.9943±0.00285605 |
Z-Score: |
-0.1922±0.096977 |
p-Value: |
0.847944 |
Z-Factor: |
-10.5616 |
Fitness Defect: |
0.1649 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 14|E7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2010-08-10 YYYY-MM-DD | Plate CH Control (+): | 0.095±0.00999 | Plate DMSO Control (-): | 0.93275±0.01656 | Plate Z-Factor: | 0.8939 |
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15 |
17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
225 |
3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one |
3167 |
17-hydroxy-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3- one |
4079 |
17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one |
5879 |
(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclop enta[a]phenanthren-17-one |
5880 |
(3R,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclop enta[a]phenanthren-17-one |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 17389 | Additional Members: 4 | Rows returned: 1 | |
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